input word = C00027081

Metabolite InformationStructural formula
Name 14-Bromodiscorhabdin C
Formula C18H12Br3N3O2
Mw 538.84796535
CAS RN 182928-53-6
C_ID C00027081 ,
InChIKey BLFMBWWFYPUMNR-UHFFFAOYSA-N
InChICode InChI=1S/C18H12Br3N3O2/c19-8-5-18(6-9(20)15(8)25)2-4-23-14-11(18)12-10-7(1-3-22-12)17(21)24-13(10)16(14)26/h5-6,23-24H,1-4H2
SMILES c12CCN=C3c1c(C(=O)C1=C3[C@]3(CCN1)C=C(C(=O)C(=C3)Br)Br)[nH]c2Br
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Tsitsikamma pedunculata Ref.
zoom in